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Compile Data Set for Download or QSAR

Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50036368   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 310n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 1 from ovine


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50339185
PNG
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)
Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O
Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 1 from ovine


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
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n/an/a 8.00E+3n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 2 from human


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
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n/an/a 9.00E+3n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 1 from ovine


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (human))
BDBM50339185
PNG
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)
Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O
Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1
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n/an/a 9.70E+3n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 2 from human


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (human))
BDBM50031090
PNG
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-1...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]ccc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H14FNO2S/c1-22(20,21)15-8-4-13(5-9-15)17-16(10-11-19-17)12-2-6-14(18)7-3-12/h2-11,19H,1H3
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n/an/a 1.27E+4n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 2 from human


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50031093
PNG
(2,3-Dichloro-4-(4-fluoro-phenyl)-5-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c(Cl)c(Cl)c1-c1ccc(F)cc1
Show InChI InChI=1S/C17H12Cl2FNO2S/c1-24(22,23)13-8-4-11(5-9-13)16-14(15(18)17(19)21-16)10-2-6-12(20)7-3-10/h2-9,21H,1H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 1 from ovine


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50031091
PNG
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-1...)
Show SMILES Cn1ccc(c1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C18H16FNO2S/c1-20-12-11-17(13-3-7-15(19)8-4-13)18(20)14-5-9-16(10-6-14)23(2,21)22/h3-12H,1-2H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 2 from human


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM85245
PNG
(CAS_36322-90-4 | NSC_4856 | PIROXICAM | Piroxicam)
Show SMILES CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)
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n/an/a 2.10E+4n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 1 from ovine


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50031085
PNG
(2,3-Dichloro-4-(4-fluoro-phenyl)-5-(4-methanesulfo...)
Show SMILES Cn1c(Cl)c(Cl)c(c1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C18H14Cl2FNO2S/c1-22-17(12-5-9-14(10-6-12)25(2,23)24)15(16(19)18(22)20)11-3-7-13(21)8-4-11/h3-10H,1-2H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 2 from human


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50031083
PNG
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-5...)
Show SMILES CSc1cc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C18H16FNO2S2/c1-23-17-11-16(12-3-7-14(19)8-4-12)18(20-17)13-5-9-15(10-6-13)24(2,21)22/h3-11,20H,1-2H3
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n/an/a 3.45E+4n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 2 from human


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50031088
PNG
(5-Bromo-3-(4-fluoro-phenyl)-2-(4-methanesulfonyl-p...)
Show SMILES Cn1c(Br)cc(c1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C18H15BrFNO2S/c1-21-17(19)11-16(12-3-7-14(20)8-4-12)18(21)13-5-9-15(10-6-13)24(2,22)23/h3-11H,1-2H3
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n/an/a 3.55E+4n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 2 from human


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50031083
PNG
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-5...)
Show SMILES CSc1cc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C18H16FNO2S2/c1-23-17-11-16(12-3-7-14(19)8-4-12)18(20-17)13-5-9-15(10-6-13)24(2,21)22/h3-11,20H,1-2H3
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n/an/a 3.60E+4n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 1 from ovine


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50031079
PNG
(5-Bromo-3-(4-fluoro-phenyl)-2-(4-methanesulfonyl-p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c(Br)cc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H13BrFNO2S/c1-23(21,22)14-8-4-12(5-9-14)17-15(10-16(18)20-17)11-2-6-13(19)7-3-11/h2-10,20H,1H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 2 from human


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50031092
PNG
(5-Chloro-3-(4-fluoro-phenyl)-2-(4-methanesulfonyl-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c(Cl)cc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H13ClFNO2S/c1-23(21,22)14-8-4-12(5-9-14)17-15(10-16(18)20-17)11-2-6-13(19)7-3-11/h2-10,20H,1H3
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n/an/a 4.20E+4n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 2 from human


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50031082
PNG
(3-Bromo-2-chloro-4-(4-fluoro-phenyl)-5-(4-methanes...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c(Cl)c(Br)c1-c1ccc(F)cc1
Show InChI InChI=1S/C17H12BrClFNO2S/c1-24(22,23)13-8-4-11(5-9-13)16-14(15(18)17(19)21-16)10-2-6-12(20)7-3-10/h2-9,21H,1H3
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n/an/a 4.40E+4n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 1 from ovine


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50031089
PNG
(2,3-Dibromo-4-(4-fluoro-phenyl)-5-(4-methanesulfon...)
Show SMILES Cn1c(Br)c(Br)c(c1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C18H14Br2FNO2S/c1-22-17(12-5-9-14(10-6-12)25(2,23)24)15(16(19)18(22)20)11-3-7-13(21)8-4-11/h3-10H,1-2H3
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n/an/a 5.57E+4n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 2 from human


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50031094
PNG
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-5...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c(cc1-c1ccc(F)cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H13FN2O4S/c1-25(23,24)14-8-4-12(5-9-14)17-15(10-16(19-17)20(21)22)11-2-6-13(18)7-3-11/h2-10,19H,1H3
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n/an/a 6.30E+4n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 2 from human


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50031097
PNG
(4-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-1...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c(cc1-c1ccc(F)cc1)C#N
Show InChI InChI=1S/C18H13FN2O2S/c1-24(22,23)16-8-4-13(5-9-16)18-17(10-15(11-20)21-18)12-2-6-14(19)7-3-12/h2-10,21H,1H3
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n/an/a 6.44E+4n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 2 from human


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50031093
PNG
(2,3-Dichloro-4-(4-fluoro-phenyl)-5-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c(Cl)c(Cl)c1-c1ccc(F)cc1
Show InChI InChI=1S/C17H12Cl2FNO2S/c1-24(22,23)13-8-4-11(5-9-13)16-14(15(18)17(19)21-16)10-2-6-12(20)7-3-10/h2-9,21H,1H3
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n/an/a 6.90E+4n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 2 from human


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50031087
PNG
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-5...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c(SC#N)cc1-c1ccc(F)cc1
Show InChI InChI=1S/C18H13FN2O2S2/c1-25(22,23)15-8-4-13(5-9-15)18-16(10-17(21-18)24-11-20)12-2-6-14(19)7-3-12/h2-10,21H,1H3
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n/an/a 7.20E+4n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 2 from human


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50031082
PNG
(3-Bromo-2-chloro-4-(4-fluoro-phenyl)-5-(4-methanes...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c(Cl)c(Br)c1-c1ccc(F)cc1
Show InChI InChI=1S/C17H12BrClFNO2S/c1-24(22,23)13-8-4-11(5-9-13)16-14(15(18)17(19)21-16)10-2-6-12(20)7-3-10/h2-9,21H,1H3
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n/an/a 8.80E+4n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 2 from human


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50031080
PNG
(3-(4-Fluoro-phenyl)-5-iodo-2-(4-methanesulfonyl-ph...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c(I)cc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H13FINO2S/c1-23(21,22)14-8-4-12(5-9-14)17-15(10-16(19)20-17)11-2-6-13(18)7-3-11/h2-10,20H,1H3
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n/an/a 9.23E+4n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 2 from human


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50031095
PNG
(3-(4-Fluoro-phenyl)-5-methanesulfonyl-2-(4-methane...)
Show SMILES CS(=O)(=O)c1cc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C18H16FNO4S2/c1-25(21,22)15-9-5-13(6-10-15)18-16(11-17(20-18)26(2,23)24)12-3-7-14(19)8-4-12/h3-11,20H,1-2H3
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n/an/a 9.23E+4n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 2 from human


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50031092
PNG
(5-Chloro-3-(4-fluoro-phenyl)-2-(4-methanesulfonyl-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c(Cl)cc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H13ClFNO2S/c1-23(21,22)14-8-4-12(5-9-14)17-15(10-16(18)20-17)11-2-6-13(19)7-3-11/h2-10,20H,1H3
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n/an/a 9.40E+4n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 1 from ovine


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50031096
PNG
(3-(4-Fluoro-phenyl)-4,5-diiodo-2-(4-methanesulfony...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c(I)c(I)c1-c1ccc(F)cc1
Show InChI InChI=1S/C17H12FI2NO2S/c1-24(22,23)13-8-4-11(5-9-13)16-14(15(19)17(20)21-16)10-2-6-12(18)7-3-10/h2-9,21H,1H3
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n/an/a 1.27E+5n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 1 from ovine


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50031079
PNG
(5-Bromo-3-(4-fluoro-phenyl)-2-(4-methanesulfonyl-p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c(Br)cc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H13BrFNO2S/c1-23(21,22)14-8-4-12(5-9-14)17-15(10-16(18)20-17)11-2-6-13(19)7-3-11/h2-10,20H,1H3
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n/an/a 1.33E+5n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 1 from ovine


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 1.80E+5n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 2 from human


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (human))
BDBM85245
PNG
(CAS_36322-90-4 | NSC_4856 | PIROXICAM | Piroxicam)
Show SMILES CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)
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n/an/a 2.18E+5n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 2 from human


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50031087
PNG
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-5...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c(SC#N)cc1-c1ccc(F)cc1
Show InChI InChI=1S/C18H13FN2O2S2/c1-25(22,23)15-8-4-13(5-9-15)18-16(10-17(21-18)24-11-20)12-2-6-14(19)7-3-12/h2-10,21H,1H3
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n/an/a 2.19E+5n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 1 from ovine


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50022309
PNG
(3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine | 4-b...)
Show SMILES CCCCc1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O
Show InChI InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,22H,2-3,14H2,1H3
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n/an/a 2.84E+5n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 2 from human


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50031081
PNG
(2,2,2-Trifluoro-1-[4-(4-fluoro-phenyl)-5-(4-methan...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c(cc1-c1ccc(F)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C19H13F4NO3S/c1-28(26,27)14-8-4-12(5-9-14)17-15(11-2-6-13(20)7-3-11)10-16(24-17)18(25)19(21,22)23/h2-10,24H,1H3
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n/an/a 2.98E+5n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 2 from human


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50031095
PNG
(3-(4-Fluoro-phenyl)-5-methanesulfonyl-2-(4-methane...)
Show SMILES CS(=O)(=O)c1cc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C18H16FNO4S2/c1-25(21,22)15-9-5-13(6-10-15)18-16(11-17(20-18)26(2,23)24)12-3-7-14(19)8-4-12/h3-11,20H,1-2H3
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n/an/a>3.00E+5n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 1 from ovine


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50031086
PNG
(1-[5-Bromo-3-(4-fluoro-phenyl)-2-(4-methanesulfony...)
Show SMILES CC(=O)n1c(Br)cc(c1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C19H15BrFNO3S/c1-12(23)22-18(20)11-17(13-3-7-15(21)8-4-13)19(22)14-5-9-16(10-6-14)26(2,24)25/h3-11H,1-2H3
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n/an/a 3.00E+5n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 2 from human


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50031084
PNG
(5-Bromo-3-(4-fluoro-phenyl)-2-(4-methanesulfonyl-p...)
Show SMILES CC(C)(C)OC(=O)n1c(Br)cc(c1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C22H21BrFNO4S/c1-22(2,3)29-21(26)25-19(23)13-18(14-5-9-16(24)10-6-14)20(25)15-7-11-17(12-8-15)30(4,27)28/h5-13H,1-4H3
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n/an/a>3.00E+5n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 2 from human


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50031086
PNG
(1-[5-Bromo-3-(4-fluoro-phenyl)-2-(4-methanesulfony...)
Show SMILES CC(=O)n1c(Br)cc(c1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C19H15BrFNO3S/c1-12(23)22-18(20)11-17(13-3-7-15(21)8-4-13)19(22)14-5-9-16(10-6-14)26(2,24)25/h3-11H,1-2H3
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n/an/a 3.00E+5n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 1 from ovine


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50031084
PNG
(5-Bromo-3-(4-fluoro-phenyl)-2-(4-methanesulfonyl-p...)
Show SMILES CC(C)(C)OC(=O)n1c(Br)cc(c1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C22H21BrFNO4S/c1-22(2,3)29-21(26)25-19(23)13-18(14-5-9-16(24)10-6-14)20(25)15-7-11-17(12-8-15)30(4,27)28/h5-13H,1-4H3
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n/an/a>3.00E+5n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 1 from ovine


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50031096
PNG
(3-(4-Fluoro-phenyl)-4,5-diiodo-2-(4-methanesulfony...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c(I)c(I)c1-c1ccc(F)cc1
Show InChI InChI=1S/C17H12FI2NO2S/c1-24(22,23)13-8-4-11(5-9-13)16-14(15(19)17(20)21-16)10-2-6-12(18)7-3-10/h2-9,21H,1H3
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n/an/a>3.00E+5n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 2 from human


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50031091
PNG
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-1...)
Show SMILES Cn1ccc(c1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C18H16FNO2S/c1-20-12-11-17(13-3-7-15(19)8-4-13)18(20)14-5-9-16(10-6-14)23(2,21)22/h3-12H,1-2H3
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DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 1 from ovine


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50031080
PNG
(3-(4-Fluoro-phenyl)-5-iodo-2-(4-methanesulfonyl-ph...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c(I)cc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H13FINO2S/c1-23(21,22)14-8-4-12(5-9-14)17-15(10-16(19)20-17)11-2-6-13(18)7-3-11/h2-10,20H,1H3
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n/an/a>3.00E+5n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 1 from ovine


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50031090
PNG
(3-(4-Fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-1...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]ccc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H14FNO2S/c1-22(20,21)15-8-4-13(5-9-15)17-16(10-11-19-17)12-2-6-14(18)7-3-12/h2-11,19H,1H3
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n/an/a 3.73E+5n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 1 from ovine


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50022309
PNG
(3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine | 4-b...)
Show SMILES CCCCc1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O
Show InChI InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,22H,2-3,14H2,1H3
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n/an/a 3.84E+5n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 1 from ovine


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50031088
PNG
(5-Bromo-3-(4-fluoro-phenyl)-2-(4-methanesulfonyl-p...)
Show SMILES Cn1c(Br)cc(c1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C18H15BrFNO2S/c1-21-17(19)11-16(12-3-7-14(20)8-4-12)18(21)13-5-9-15(10-6-13)24(2,22)23/h3-11H,1-2H3
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n/an/a 5.16E+5n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 1 from ovine


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50031081
PNG
(2,2,2-Trifluoro-1-[4-(4-fluoro-phenyl)-5-(4-methan...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c(cc1-c1ccc(F)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C19H13F4NO3S/c1-28(26,27)14-8-4-12(5-9-14)17-15(11-2-6-13(20)7-3-11)10-16(24-17)18(25)19(21,22)23/h2-10,24H,1H3
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n/an/a 5.80E+5n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 1 from ovine


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50031085
PNG
(2,3-Dichloro-4-(4-fluoro-phenyl)-5-(4-methanesulfo...)
Show SMILES Cn1c(Cl)c(Cl)c(c1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C18H14Cl2FNO2S/c1-22-17(12-5-9-14(10-6-12)25(2,23)24)15(16(19)18(22)20)11-3-7-13(21)8-4-11/h3-10H,1-2H3
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n/an/a 6.50E+5n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 1 from ovine


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50031089
PNG
(2,3-Dibromo-4-(4-fluoro-phenyl)-5-(4-methanesulfon...)
Show SMILES Cn1c(Br)c(Br)c(c1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C18H14Br2FNO2S/c1-22-17(12-5-9-14(10-6-12)25(2,23)24)15(16(19)18(22)20)11-3-7-13(21)8-4-11/h3-10H,1-2H3
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n/an/a 7.67E+5n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 1 from ovine


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
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n/an/a 1.28E+6n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 1 from ovine


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
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n/an/a 1.80E+7n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Prostaglandin G/H synthase 2 from human


J Med Chem 38: 3895-901 (1995)


Article DOI: 10.1021/jm00020a002
BindingDB Entry DOI: 10.7270/Q28C9WX5
More data for this
Ligand-Target Pair